Information card for entry 4339374

Structure parameters

• Formula: C318 H306 Cl18 Cu9 N72 O123 S14
• Calculated formula: C315 Cl11 Cu9 N72 O94 S14
• Title of publication: Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.
• Authors of publication: Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10208 - 10213
• a: 67.645 ± 0.01 Å
• b: 67.645 ± 0.01 Å
• c: 21.559 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 85434 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.2092
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3274
• Weighted residual factors for all reflections included in the refinement: 0.3634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: ?synchrotronsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No